SCHEMBL1364962

SCHEMBL1364962

COP(=S)(OC)Oc1ccc(C)c(C)c1S

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3732613 0.69 LMNA (0.37) ALDH1A1CYP3A4HSD17B10TSHRLMNA
SCHEMBL11041326 0.66 ALDH1A1 (0.50) ALDH1A1CYP3A4HSD17B10TSHRLMNA
Hydrochloric Acid SCHEMBL11850019 0.66 NCEH1 (0.40) ALDH1A1CYP3A4TSHRLMNAMEN1
SCHEMBL12799246 0.64 ALDH1A1 (0.67) ALDH1A1CYP3A4HSD17B10TSHRLMNA
SCHEMBL1402586 0.63 CYP1A2 (0.36) HSD17B10TSHRMEN1KMT2A
SCHEMBL3341056 0.63 MAPT (0.60) ALDH1A1CYP3A4LMNAMAPK1MEN1
SCHEMBL29365600 0.63 MAPT (0.60) ALDH1A1CYP3A4LMNAMAPK1MEN1
SCHEMBL27873890 0.63 MAPT (0.34)
SCHEMBL11602041 0.63 TDP1 (0.42) ALDH1A1CYP3A4HSD17B10TSHRLMNA
SCHEMBL31677108 0.63 LTA4H (0.41) ALDH1A1CYP3A4HSD17B10TSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
US-8067763-B2 Quantum dot solar cell with conjugated bridge molecule HONEYWELL INTERNATIONAL INC. (US) 2011-11-29 US disclosed
US-20090159120-A1 QUANTUM DOT SOLAR CELL WITH CONJUGATED BRIDGE MOLECULE HONEYWELL INTERNATIONAL INC. (US) 2009-06-25 US disclosed
EP-0057440-B1 AMINOPYRIMIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND FUNGICIDAL, INSECTICIDAL AND ACARICIDAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1985-05-22 EP disclosed
US-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 US disclosed
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 ALDH1A1 730/4885CYP3A4 2764/4885HSD17B10 1782/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 ALDH1A1 730/4885CYP3A4 2764/4885HSD17B10 1782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.